![CAS 335357-38-5 Pyridine, 2,6-bis[(4S)-4,5-dihydro-4-(2-methylpropyl)-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/335357-38-5.gif)
CAS RN: 335357-38-5
Pyridine, 2,6-bis[(4S)-4,5-dihydro-4-(2-methylpropyl)-2-oxazolyl]-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260526 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS335357-38-5
- Purity/Analytical Methods: >99.0%
335357-38-5 / (4S)-4-(2-methylpropyl)-2-[6-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
335357-38-5
Multi CAS
Yes
Molecular Formula
C19H27N3O2
Molecular Weight
329.400000
Exact Mass
329.210327
InChI
InChI=1S/C19H27N3O2/c1-12(2)8-14-10-23-18(20-14)16-6-5-7-17(22-16)19-21-15(11-24-19)9-13(3)4/h5-7,12-15H,8-11H2,1-4H3/t14-,15-/m0/s1
InChIKey
JPPHLOFYYNORNO-GJZGRUSLSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
95.7
TPSA
56.07
LogP / Solubility
WLOGP
3.46
MLOGP
3.06
XLogP3
4
Consensus LogP
3.51
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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